5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine

C19H11F3N6 — CID 6409699

IUPAC5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine
SMILESFC(F)(F)c1ccc(-c2nnc(-c3ccccn3)c(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H11F3N6/c20-19(21,22)12-7-8-15(25-11-12)18-26-16(13-5-1-3-9-23-13)17(27-28-18)14-6-2-4-10-24-14/h1-11H
InChIKeyHJINPOCAZKGGKA-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.08
Rot. Bonds3

About 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine

5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine (PubChem CID 6409699) has the molecular formula C19H11F3N6 and a molecular weight of 380.33 g/mol. Its IUPAC name is 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine
PubChem CID6409699
Molecular FormulaC19H11F3N6
Molecular Weight380.33 g/mol
Exact Mass380.10
IUPAC Name5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine
SMILESFC(F)(F)c1ccc(-c2nnc(-c3ccccn3)c(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H11F3N6/c20-19(21,22)12-7-8-15(25-11-12)18-26-16(13-5-1-3-9-23-13)17(27-28-18)14-6-2-4-10-24-14/h1-11H
InChIKeyHJINPOCAZKGGKA-UHFFFAOYSA-N
XLogP4.08
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine?
The IUPAC name of 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine (CID 6409699) is 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine.
What is the SMILES notation for 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine?
The canonical SMILES for 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine is FC(F)(F)c1ccc(-c2nnc(-c3ccccn3)c(-c3ccccn3)n2)nc1.
What is the InChIKey of 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine?
The InChIKey is HJINPOCAZKGGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6/c20-19(21,22)12-7-8-15(25-11-12)18-26-16(13-5-1-3-9-23-13)17(27-28-18)14-6-2-4-10-24-14/h1-11H.
What are the key properties of 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine?
5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine has a molecular weight of 380.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dipyridin-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazine is sourced from PubChem (CID 6409699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).